Basic information
- Standard SMILES
COC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=S)SC- InChIKey
WJIUSOBBBNVGDH-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.0653201
Names & identifiers
- Preferred name
- Methyl (3RS)-2-[(methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
- IUPAC
- methyl 2-methylsulfanylcarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Names & synonyms
WJIUSOBBBNVGDH-UHFFFAOYSA-NMethyl (3RS)-2-[(methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 13561978
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
2 records
Compound notes
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